Crystal and molecular structure of trans‐(±)‐3‐acetoxy‐2‐(4‐methoxyphenyl)‐4‐oxo‐2,3,4,5‐tetrahydro‐1,5‐benzothiazepine‐1‐oxide | Zendy

Kumaradhas P. | Zendy; Kalyanam N. | Zendy; Nirmala K. A. | Zendy

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Crystal and molecular structure of trans‐(±)‐3‐acetoxy‐2‐(4‐methoxyphenyl)‐4‐oxo‐2,3,4,5‐tetrahydro‐1,5‐benzothiazepine‐1‐oxide

Author(s) -

Kumaradhas P.,

Kalyanam N.,

Nirmala K. A.

Publication year - 2006

Publication title -

crystal research and technology

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.377

H-Index - 64

eISSN - 1521-4079

pISSN - 0232-1300

DOI - 10.1002/crat.200510698

Subject(s) - chemistry , molecule , ring (chemistry) , hydrogen bond , stereochemistry , amide , crystal structure , crystallography , group (periodic table) , crystal (programming language) , organic chemistry , computer science , programming language

The title compound is a structurally related isomer of diltiazem, a well known drug. This compound (C 18 H 17 NO 5 S) crystallizes in the space group P2 1 /n with a = 13.803(4), b = 7.704(3), c = 16.093(3) Å, β = 105.37(2)º, Z = 4, V = 1650.1(9) Å 3 . The least‐squares refinement gave residual index R = 0.067 for 2831 observed reflections. The distorted seven‐membered ring in the molecule shows twist‐boat conformation. Hydrogen bonds in which the amide group at one molecule and a carbonyl group in the adjacent molecule are involved to form centrosymmetric dimers in the crystal. (© 2006 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)

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